Enhancing ferromagnetic coupling in CrXY (X = O, S, Se; Y = Cl, Br, I) monolayers by turning the covalent character of Cr-X bonds
Abstract On the basis of first-principles calculations, we investigate the electronic and magnetic properties of 1T phase chromium sulfide halide CrXY (X = O, S, Se; Y = Cl, Br, I) monolayers in CrCl2 structure with the P $$\overline{3}$$ 3 ¯ m1 space group. Except for the CrOI monolayer, all CrXY m...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
Nature Portfolio
2023-04-01
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| Series: | npj Computational Materials |
| Online Access: | https://doi.org/10.1038/s41524-023-01013-8 |